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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Prostaglandin G/H synthase 2' and Ligand = 'BDBM50312669'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Prostaglandin G/H synthase 2


(Mus musculus (Mouse))		BDBM50312669
PNG
(2-[2-{1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-in...)
Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCOC(=O)CCC(=O)O[C@H]3[C@@H]4COC(=O)[C@H]4[C@@H](c4cc(OC)c(OC)c(OC)c4)c4cc5OCOc5cc34)c2c1 |r|
Show InChI InChI=1S/C47H45ClN2O14/c1-24-29(30-18-28(56-2)10-11-34(30)50(24)46(54)25-6-8-27(48)9-7-25)21-39(51)49-14-15-60-40(52)12-13-41(53)64-44-32-20-36-35(62-23-63-36)19-31(32)42(43-33(44)22-61-47(43)55)26-16-37(57-3)45(59-5)38(17-26)58-4/h6-11,16-20,33,42-44H,12-15,21-23H2,1-5H3,(H,49,51)/t33-,42+,43-,44-/m1/s1
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Similars
Article
PubMed
n/an/a 254n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of mouse COX2

Bioorg Med Chem Lett 20: 1787-91 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.009
BindingDB Entry DOI: 10.7270/Q2J966H5
More data for this
Ligand-Target Pair